N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide

C14H23N3O — CID 63306339

IUPACN-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCc1ncccc1C
InChIInChI=1S/C14H23N3O/c1-4-5-8-16-14(18)12(3)17-10-13-11(2)7-6-9-15-13/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyGJYCPCIDSLYGKW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds7

About N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide

N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide (PubChem CID 63306339) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
PubChem CID63306339
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCc1ncccc1C
InChIInChI=1S/C14H23N3O/c1-4-5-8-16-14(18)12(3)17-10-13-11(2)7-6-9-15-13/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyGJYCPCIDSLYGKW-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
The IUPAC name of N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide (CID 63306339) is N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide.
What is the SMILES notation for N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
The canonical SMILES for N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide is CCCCNC(=O)C(C)NCc1ncccc1C.
What is the InChIKey of N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
The InChIKey is GJYCPCIDSLYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-8-16-14(18)12(3)17-10-13-11(2)7-6-9-15-13/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 63306339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).